1-ALPHA,6-ALPHA-1,4,4-TRIMETHYL-2-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE

SpectraBase Compound ID	Inbm8xHaQsy
InChI	InChI=1S/C12H17NO/c1-11(2)5-9-8(7-13)4-12(9,3)10(14)6-11/h8-9H,4-6H2,1-3H3/t8-,9-,12+/m0/s1
InChIKey	DHYZGWZZOIDXLL-HOTUBEGUSA-N Google Search
Mol Weight	191.27 g/mol
Molecular Formula	C12H17NO
Exact Mass	191.131014 g/mol

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SpectraBase Spectrum ID	JyDrphyR2Gu
Name	(1R,6S,7R)-2-Oxo-1,4,4-trimethylbicyclo[4.2.0]octane-7-(exo)-carbonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H17NO
InChI	InChI=1S/C12H17NO/c1-11(2)5-9-8(7-13)4-12(9,3)10(14)6-11/h8-9H,4-6H2,1-3H3/t8-,9-,12+/m0/s1
InChIKey	DHYZGWZZOIDXLL-HOTUBEGUSA-N
Molecular Weight	191.274 g/mol
SMILES	[C@]12([C@]([C@](C#N)(C2)[H])(CC(C)(C)CC1=O)[H])C
SPLASH	splash10-001i-9100000000-b1e0c324881519e0ff3a
Source of Spectrum	I-81-420-7
Synonyms	(1R,6S,7R)-1,4,4-trimethyl-2-oxobicyclo[4.2.0]octane-7-carbonitrile 5-Oxo-1,4,4-trimethylbicyclo[4.2.0]octane-7-(exo)-carbonitrile
Wiley ID	1517394